N-(cyclohexylmethyl)-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]carbonylphenyl]sulfanyl-ethanamide

Systemtic Name: N-(cyclohexylmethyl)-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]carbonylphenyl]sulfanyl-ethanamide Openeye Name: N-(cyclohexylmethyl)-2-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]sulfanyl-acetamide CAS Name: N-(cyclohexylmethyl)-2-[[2-[[4-(4-methoxyphenyl)-1-piperazinyl]-oxomethyl]phenyl]thio]acetamide IUPAC Name: N-(cyclohexylmethyl)-2-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide Traditional Name: N-(cyclohexylmethyl)-2-[[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]thio]acetamide Formula: C27H35N3O3S MolecularWeight: 481.6501

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)NCC4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)NCC4CCCCC4

InChI

InChI=1S/C27H35N3O3S/c1-33-23-13-11-22(12-14-23)29-15-17-30(18-16-29)27(32)24-9-5-6-10-25(24)34-20-26(31)28-19-21-7-3-2-4-8-21/h5-6,9-14,21H,2-4,7-8,15-20H2,1H3,(H,28,31)